Ethanol → HCID 59129158, compound

HRID 194692Notes

Reaction equation

HRID 194692 reaction equation
[C-:32]#[N:33].[CH3:35][CH2:36][OH:37].[Na+:34].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]4[c:22]([cH:23][cH:24]3)[N:21]([CH2:25][CH2:26][Cl:27])[CH:20]([C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:19]4)[CH2:11][CH2:12]1)[cH:9]2.[OH2:38]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]4[c:22]([cH:23][cH:24]3)[N:21]([CH2:25][CH2:26][C:32]#[N:33])[CH:20]([C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:19]4)[CH2:11][CH2:12]1)[cH:9]2

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 5975CyanideHCID 59129290HCID 59129290, compound

Product 1

HCID 59129158HCID 59129158, compound

Sources & evidence

ORD record
ord-adcd68ef04b54f1e97e19eccc147de3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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